SCHEMBL544296

SCHEMBL544296

C=CC(N)CCCCC[O]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
BLM P54132 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28870655 0.78 BLM (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5669156 0.78 BLM (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL8218531 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4373552 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3809913 0.76 SLC6A2 (0.40) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5597865 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5571899 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7653269 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11219189 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5154438 0.76 OPRM1 (0.48) SLC6A2SLC6A4BLMSLC6A3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-09-05 US claimed
EP-0958296-A1 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-11-24 EP claimed
WO-1997041097-A2 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO claimed
EP-1250323-B1 Compounds having hypolipidemic and hypocholesterolemic activities, process for their preparation and pharmaceutical compositions containing them CADILA HEALTHCARE LTD (IN) 2014-01-01 EP disclosed
US-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILLA HEALTHCARE LIMITED (IN) 2008-08-07 US disclosed
US-7323491-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-01-29 US disclosed
US-6987123-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2006-01-17 US disclosed
US-20050032864-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S LABORATORIES LIMITED 2005-02-10 US disclosed
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine LOHRAY BRAJ BHUSHAN (IN) 2004-09-23 US disclosed
US-6780992-B2 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL) -ETHOXY)PHENYL METHYL)THIAZOLIDINE-2,4-DIONE FOR EXAMPLE; ALSO OXAZOLIDINE-2,4-DIONE, AND 1,2,4-OXADIAZOLIDINE-3,5-DIONE DERIVATIVES; REDUCING BLOOD GLUCOSE LEVELS DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-24 US disclosed
US-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED 2003-10-23 US disclosed
EP-1250323-A2 COMPOUNDS HAVING HYPOLIPIDEMIC AND HYPOCHOLESTEROLEMIC ACTIVITIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CADILA HEALTHCARE LTD. (IN) 2002-10-23 EP disclosed
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-09-05 US disclosed
US-6372750-B2 COMPOUNDS SUCH AS 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL)ETHOXY)PHENYL METHYL)THIZOLIDINE-2,4-DIONE MADE BY CYCLIZATION, CHEMICAL REDUCTION, HYDROLYSIS, AZOLIDINEDIONE DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-16 US disclosed
WO-2001053257-A2 COMPOUNDS HAVING HYPOLIPEDEMIC AND HYPOCHOLESTEREMIC ACTIVITIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CADILA HEALTHCARE LTD. (IN) 2001-07-26 WO disclosed
EP-0958296-A1 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-11-24 EP disclosed
WO-1997041097-A2 NOVEL HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT SLC6A2 2576/4885SLC6A4 2405/4885BLM 3933/4885
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT SLC6A2 2576/4885SLC6A4 2405/4885BLM 3933/4885
US-20050032864-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B2 SLC6A2 2038/4885SLC6A4 1315/4885BLM 3776/4885
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 SLC6A2 2460/4885SLC6A4 2245/4885BLM 3900/4885
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B1 SLC6A2 2170/4885SLC6A4 1384/4885BLM 3844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.